化工社化工社 化学情報印刷レポート · 研究参考用
ベンゾヒドロキサム酸
ベンゾヒドロキサム酸 · N-ベンゾイルヒドロキシルアミン · フェニルヒドロキサム酸 · ベンズヒドロキシム酸 · ベンゼンホルムヒドロキサム酸 · ベンゼンカルボヒドロキサム酸 · N-ヒドロキシベンゼンカルボアミド · N-ヒドロキシベンズアミド
識別子と物理属性
| CAS No. | 32685-16-8 |
|---|---|
| 分子式 | C7H7NO2 |
| 平均分子量 | 137.14 g/mol |
| 単同位体質量 | 137.04767847 g/mol |
| SMILES | O=C(NO)c1ccccc1 |
| InChIKey | VDEUYMSGMPQMIK-UHFFFAOYSA-N |
| PubChem CID | 10313 |
| ChEMBL | CHEMBL16300 |
| EC No. | 207-797-6 |
| DTXSID | DTXSID7025421 |
| 現地名 | ベンゾヒドロキサム酸 |
化学・物理的性質
| XLogP | 0.3 |
|---|---|
| 極性表面積 | 49.3 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 119 |
| LogP（分配係数） | 0.26 |
| 溶解度 | 5 to 10 mg/mL at 74.7 °F (NTP, 1992)アルコールに可溶。エーテルにわずかに溶ける。ベンゼンに不溶。22g/L（6℃） |
| 沸点 | Explodes (NTP, 1992)251.96°C (rough estimate) |
| 融点 | 259 to 266 °F (NTP, 1992)128126-130 °C(lit.) |
| Physical Description | Rhombic crystals or light beige solid. (NTP, 1992) |
| 密度 | 1.2528 (rough estimate) |
| 屈折率 | 1.5030 (estimate) |
| 貯蔵条件 | 2-8°C |
| pKa（酸解離定数） | pK1: 8.89(0) (20°C) |
| 外観・状態 | 個体 |
| 色 | 菱形錠 |
| BRN | 1907585 |
| 安定性 | 湿気と温度に敏感 |
| InChI | 1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9) |
| InChIKey | VDEUYMSGMPQMIK-UHFFFAOYSA-N |
| SMILES | ONC(=O)c1ccccc1 |
| CAS データベース | 495-18-1(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzamide, n-hydroxy-(495-18-1) |
| EPAの化学物質情報 | Benzohydroxamic acid (495-18-1) |
化学的特性
Crystalline Solid
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H341 (97%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 33 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: Benzamide, N-hydroxy-Status: No longer Valid Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24948Benzamide, N-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
| 火災危険 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 健康有害性 | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992) |
| 反応性グループ | Alcohols and PolyolsAmides and Imides |
| Reactivity Profile | N-HYDROXYBENZAMIDE is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). |
| Air and Water Reactions | Slightly soluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97%)Muta. 2 (97%) |
| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.INHALATION: IMMEDIATELY leave the contaminated areatake deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be usedif not available, use a level of protection greater than or equal to that advised under Protective Clothing.INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992) |
| 非火災時の漏出対応 | SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992) |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | DF9650000 |
| 毒性 | LD orl-rat: >500 mg/kg NCNSA6 5,26,53 |
| 税関コード | 29280090 |
| 危険文句（R） | 68-40-20/21/22 |
| 危険表示 | Xn |
| 安全措置（S） | 45-36/37-36-22 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
Benzhydroxamic acid is used as precursor in the synthesis of novel mono-anionic and di-anionic hydroxamato complexes by reacting with BiPh3 and Bi(O(t)Bu)3, which has anti-bacterial activity against helicobacter pylori. It is used in the photometric determination of trace amounts of vanadium in alloy steels by making mixed-ligand vanadium chelates with ammonium thiocyanate. It is also involved in the palladium catalyzed synthesis of benzisoxazolones.
一般的な説明
Rhombic crystals or light beige solid.
製法・合成法
製造方法
To a rapidly stirred suspension of 19.6 gm (0.35 mole) of powdered anhydrous potassium hydroxide in 120 ml of pyridine, maintained at 0-5°C, is a added a solution of 13.9 gm (0.2 mole) of hydroxylamine hydrochloride in 100 ml of pyridine. While maintaining the reaction temperature at 0-5°C, 15 gm (0.1 mole) of ethyl benzoate is added. Vigorous stirring is continued at room temperature for 6 hr. Then the solids are filtered off. The solids are washed with cold water to remove inorganic coproducts. The remainder, recrystallized from aqueous ethanol, represents a 94% yield of potassium benzohydroxamate. This salt is triturated with cold 0.01 TV hydrochloric acid. From this mixture, by the usual procedures, 12.5 gm (91% overall) of benzohydroxamic acid is isolated, m.p. 131°C (from aqueous alcohol).